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Substance Name: Benzo(a)pyrene, 2-nitro-
RN: 138542-40-2
InChIKey: GYEJGVYFCBTODU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H11-N-O2

Molecular Weight

  • 297.312
 
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Names and Synonyms

Synonyms

  • 2-Nitrobenzo(a)pyrene
  • BRN 5442357
  • CCRIS 4953

Systematic Names

  • 2-Nitrobenzo(a)pyrene
  • Benzo(a)pyrene, 2-nitro-

Registry Numbers

CAS Registry Number

  • 138542-40-2

System Generated Number

  • 0138542402

Structure Descriptors

InChI

1S/C20H11NO2/c22-21(23)16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11H

InChIKey

GYEJGVYFCBTODU-UHFFFAOYSA-N

Smiles

c12c(cc3ccc4cc(cc5ccc1c3c45)[N+](=O)[O-])cccc2